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3G4I
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BU of 3g4i by Molmil
Crystal structure of human phosphodiesterase 4d with d155871
分子名称: 1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, ETHANOL, MAGNESIUM ION, ...
著者Staker, B.L.
登録日2009-02-03
公開日2010-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
3GD2
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BU of 3gd2 by Molmil
isoxazole ligand bound to farnesoid X receptor (FXR)
分子名称: 3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, activator peptide
著者Madauss, K.P, Williams, S.P, Deaton, D.N, Wisely, G.B, Mcfadyen, R.B.
登録日2009-02-23
公開日2009-07-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Substituted isoxazole analogs of farnesoid X receptor (FXR) agonist GW4064.
Bioorg.Med.Chem.Lett., 19, 2009
3H87
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BU of 3h87 by Molmil
Rv0301 Rv0300 Toxin Antitoxin Complex from Mycobacterium tuberculosis
分子名称: BETA-MERCAPTOETHANOL, GLYCEROL, IMIDAZOLE, ...
著者Min, A, Sawaya, M.R, Cascio, D, Eisenberg, D, Integrated Center for Structure and Function Innovation (ISFI)
登録日2009-04-28
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献The crystal structure of the Rv0301-Rv0300 VapBC-3 toxin-antitoxin complex from M. tuberculosis reveals a Mg(2+) ion in the active site and a putative RNA-binding site.
Protein Sci., 21, 2012
3FF6
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BU of 3ff6 by Molmil
Human ACC2 CT domain with CP-640186
分子名称: (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE, Acetyl-CoA carboxylase 2
著者Williams, S.P, Madauss, K.P, Burkhart, W.A.
登録日2008-12-02
公開日2009-05-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The human ACC2 CT-domain C-terminus is required for full functionality and has a novel twist.
Acta Crystallogr.,Sect.D, 65, 2009
3F4B
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BU of 3f4b by Molmil
Crystal structure of Plasmodium berghei Enoyl-acyl-carrier-protein reductase with TRICLOSAN
分子名称: Enoyl-acyl carrier protein reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Sacchettini, J.C, Tsai, H.-C.
登録日2008-10-31
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献The fatty acid biosynthesis enzyme FabI plays a key role in the development of liver-stage malarial parasites.
Cell Host Microbe, 4, 2008
3GZ5
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BU of 3gz5 by Molmil
Crystal structure of Shewanella oneidensis NrtR
分子名称: MutT/nudix family protein, SODIUM ION
著者Huang, N, Zhang, H.
登録日2009-04-06
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and function of an ADP-ribose-dependent transcriptional regulator of NAD metabolism
Structure, 17, 2009
3E50
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BU of 3e50 by Molmil
Crystal structure of human insulin degrading enzyme in complex with transforming growth factor-alpha
分子名称: Insulin-degrading enzyme, Protransforming growth factor alpha, ZINC ION
著者Guo, Q, Manolopoulou, M, Tang, W.-J.
登録日2008-08-12
公開日2009-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular Basis for the Recognition and Cleavages of IGF-II, TGF-alpha, and Amylin by Human Insulin-Degrading Enzyme.
J.Mol.Biol., 395, 2010
3HC5
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BU of 3hc5 by Molmil
FXR with SRC1 and GSK826
分子名称: 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2009-05-05
公開日2009-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
3GZ6
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BU of 3gz6 by Molmil
Crystal structure of Shewanella oneidensis NrtR complexed with a 27mer DNA
分子名称: DNA (27-MER), MutT/nudix family protein, SODIUM ION
著者Huang, N, Zhang, H.
登録日2009-04-06
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Structure and function of an ADP-ribose-dependent transcriptional regulator of NAD metabolism
Structure, 17, 2009
3GZ8
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BU of 3gz8 by Molmil
Cocrystal structure of NUDIX domain of Shewanella oneidensis NrtR complexed with ADP ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, MutT/nudix family protein
著者Huang, N, Zhang, H.
登録日2009-04-06
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structure and function of an ADP-ribose-dependent transcriptional regulator of NAD metabolism
Structure, 17, 2009
3H4R
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BU of 3h4r by Molmil
Crystal structure of E. coli RecE exonuclease
分子名称: Exodeoxyribonuclease 8
著者Bell, C.E, Zhang, J.
登録日2009-04-20
公開日2009-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of E. coli RecE protein reveals a toroidal tetramer for processing double-stranded DNA breaks.
Structure, 17, 2009
3HC6
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BU of 3hc6 by Molmil
FXR with SRC1 and GSK088
分子名称: 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2009-05-05
公開日2009-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
3HGZ
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BU of 3hgz by Molmil
Crystal structure of human insulin-degrading enzyme in complex with amylin
分子名称: Insulin-degrading enzyme, Islet amyloid polypeptide, ZINC ION
著者Guo, Q, Bian, Y, Tang, W.J.
登録日2009-05-14
公開日2009-12-08
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Molecular Basis for the Recognition and Cleavages of IGF-II, TGF-alpha, and Amylin by Human Insulin-Degrading Enzyme.
J.Mol.Biol., 395, 2010
6WKU
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BU of 6wku by Molmil
Twelve Chloride Ions Drive Assembly of Human alpha345 Collagen IV NC1 domain
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ...
著者Boudko, S.P, Hudson, B.G.
登録日2020-04-17
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Collagen IV alpha 345 dysfunction in glomerular basement membrane diseases. II. Crystal structure of the alpha 345 hexamer.
J.Biol.Chem., 296, 2021
2OSF
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BU of 2osf by Molmil
Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study
分子名称: 4-MERCAPTOBENZENE-1,3-DIOL, Carbonic anhydrase 2, S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate, ...
著者Albert, A.B, Caroli, G, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Tripp, B.C.
登録日2007-02-05
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Inhibition of carbonic anhydrase II by thioxolone: a mechanistic and structural study.
Biochemistry, 47, 2008
2OSM
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BU of 2osm by Molmil
Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study
分子名称: 2-MERCAPTOPHENOL, Carbonic anhydrase 2, ZINC ION
著者Albert, A.B, Caroli, G, Govindasamy, L, Agbandje-Mckenna, M, McKenna, R, Tripp, B.C.
登録日2007-02-06
公開日2008-02-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study.
Biochemistry, 47, 2008
2OKY
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BU of 2oky by Molmil
A non-invasive GFP-based biosensor for mercury ions
分子名称: Green fluorescent protein
著者Sagermann, M, Chapleau, R.R.
登録日2007-01-18
公開日2007-12-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design of a highly specific and noninvasive biosensor suitable for real-time in vivo imaging of mercury (II) uptake.
Protein Sci., 17, 2008
2OKW
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BU of 2okw by Molmil
A non-invasive GFP-based biosensor for mercury ions
分子名称: Green fluorescent protein
著者Chapleau, R.R, Blomberg, R, Ford, P.C, Sagermann, M.
登録日2007-01-17
公開日2007-12-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of a highly specific and noninvasive biosensor suitable for real-time in vivo imaging of mercury (II) uptake.
Protein Sci., 17, 2008
8TIC
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BU of 8tic by Molmil
Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid, CHLORIDE ION, ...
著者Sudom, A, Min, X.
登録日2023-07-19
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors.
J.Med.Chem., 66, 2023
8TJC
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BU of 8tjc by Molmil
Structure of human beta 1,3-N-acetylglucosaminyltransferase 2 with compound 8a
分子名称: (6M)-1-[(2R)-3,3-dimethylbutan-2-yl]-6-[(5S)-5-methyl-4-oxo-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]-1,3-dihydro-2H-benzimidazol-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sudom, A, Min, X.
登録日2023-07-20
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Imidazolone as an Amide Bioisostere in the Development of beta-1,3- N -Acetylglucosaminyltransferase 2 (B3GNT2) Inhibitors.
J.Med.Chem., 66, 2023
1TAL
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BU of 1tal by Molmil
ALPHA-LYTIC PROTEASE AT 120 K (SINGLE STRUCTURE MODEL)
分子名称: ALPHA-LYTIC PROTEASE, SULFATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Rader, S.D, Agard, D.A.
登録日1996-10-30
公開日1997-04-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational substates in enzyme mechanism: the 120 K structure of alpha-lytic protease at 1.5 A resolution.
Protein Sci., 6, 1997
6B5P
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BU of 6b5p by Molmil
Structure of PfCSP peptide 20 with human antibody CIS42
分子名称: CIS42 Fab Heavy chain, CIS42 Fab Light chain, pfCSP peptide 20: ASN-PRO-ASP-PRO-ASN-ALA-ASN-PRO-ASN-VAL-ASP
著者Pancera, M, Weidle, C.
登録日2017-09-29
公開日2018-03-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
6B5R
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BU of 6b5r by Molmil
Structure of PfCSP peptide 21 with human antibody CIS42
分子名称: CIS42 Fab Heavy chain, CIS42 Fab Light chain, PfCSP peptide 21: ASN-PRO-ASP-PRO-ASN-ALA-ASN-PRO-ASN-VAL-ASP-PRO-ASN
著者Pancera, M, Weidle, C.
登録日2017-09-29
公開日2018-03-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.775 Å)
主引用文献A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
6B5M
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BU of 6b5m by Molmil
Structure of PfCSP peptide 21 with human protective antibody CIS43
分子名称: 1,2-ETHANEDIOL, CIS43 Fab Heavy chain, CIS43 Fab Light chain, ...
著者Pancera, M, Weidle, C.
登録日2017-09-29
公開日2018-03-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
6B5T
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BU of 6b5t by Molmil
Structure of PfCSP peptide 29 with human antibody CIS42
分子名称: AMMONIUM ION, CIS42 Fab Heavy chain, CIS42 Fab Light chain, ...
著者Pancera, M, Weidle, C.
登録日2017-09-29
公開日2018-03-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (2.222 Å)
主引用文献A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018

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